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CAS 885271-45-4 5-CHLORO-3-IODO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 885271-45-4

5-CHLORO-3-IODO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-199314
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 885271-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

885271-45-4 / ethyl 5-chloro-3-iodoimidazo[1,2-a]pyridine-2-carboxylate

Standard CAS: 885271-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885271-45-4
Multi CAS
No
Molecular Formula
C11H8LiN2O2
Molecular Weight
350.540000
Exact Mass
349.931900
InChI
InChI=1S/C10H8ClIN2O2/c1-2-16-10(15)8-9(12)14-6(11)4-3-5-7(14)13-8/h3-5H,2H2,1H3
InChIKey
GWGQONDGHIVVEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.88
TPSA
43.6

LogP / Solubility

WLOGP
2.77
MLOGP
2.45
XLogP3
4
Consensus LogP
3.07
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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